2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide

C22H21N5O2 — CID 134373088

IUPAC2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1
InChIInChI=1S/C22H21N5O2/c1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16/h4-13H,1-3H3,(H,24,28)(H,25,26)
InChIKeyKNOQKFKILLZESZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.95
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide

2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide (PubChem CID 134373088) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide
PubChem CID134373088
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1
InChIInChI=1S/C22H21N5O2/c1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16/h4-13H,1-3H3,(H,24,28)(H,25,26)
InChIKeyKNOQKFKILLZESZ-UHFFFAOYSA-N
XLogP3.95
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 158995760
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
2-[4-(dimethylamino)phenyl]-N-[2-(3-methoxyanilino)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 67113265
2-(4-aminophenyl)-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 164997337
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane
CID 157283301
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide (CID 134373088) is 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide is COc1ccc(NC(=O)c2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cn1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is KNOQKFKILLZESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-27(2)17-8-4-14(5-9-17)21-25-18-10-6-15(12-19(18)26-21)22(28)24-16-7-11-20(29-3)23-13-16/h4-13H,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide?
2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 134373088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).