N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide

C18H18N6O — CID 166327748

IUPACN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCN(C)Cc1nc2ccc(NC(=O)c3cccc4nccn34)cc2[nH]1
InChIInChI=1S/C18H18N6O/c1-23(2)11-16-21-13-7-6-12(10-14(13)22-16)20-18(25)15-4-3-5-17-19-8-9-24(15)17/h3-10H,11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyAXDOSRHTTJCZDH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.52
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide

N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 166327748) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID166327748
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCN(C)Cc1nc2ccc(NC(=O)c3cccc4nccn34)cc2[nH]1
InChIInChI=1S/C18H18N6O/c1-23(2)11-16-21-13-7-6-12(10-14(13)22-16)20-18(25)15-4-3-5-17-19-8-9-24(15)17/h3-10H,11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyAXDOSRHTTJCZDH-UHFFFAOYSA-N
XLogP2.52
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide
CID 166327747
2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide
CID 166281315
N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964446
1-imidazo[1,2-a]pyridin-5-ylethanone
CID 82596119
2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
CID 112523655
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721718
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
CID 110204597
methyl 3-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 167508308
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide (CID 166327748) is N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide is CN(C)Cc1nc2ccc(NC(=O)c3cccc4nccn34)cc2[nH]1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is AXDOSRHTTJCZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-23(2)11-16-21-13-7-6-12(10-14(13)22-16)20-18(25)15-4-3-5-17-19-8-9-24(15)17/h3-10H,11H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide?
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 166327748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).