4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide

C27H30N4O2 — CID 139827123

IUPAC4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1
InChIInChI=1S/C27H30N4O2/c1-4-16-31(17-5-2)22-11-6-20(7-12-22)27(32)28-21-10-15-24-25(18-21)30-26(29-24)19-8-13-23(33-3)14-9-19/h6-15,18H,4-5,16-17H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyUPKBSLKOLBSDBL-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.12
Rot. Bonds9

About 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide

4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 139827123) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID139827123
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1
InChIInChI=1S/C27H30N4O2/c1-4-16-31(17-5-2)22-11-6-20(7-12-22)27(32)28-21-10-15-24-25(18-21)30-26(29-24)19-8-13-23(33-3)14-9-19/h6-15,18H,4-5,16-17H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyUPKBSLKOLBSDBL-UHFFFAOYSA-N
XLogP6.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
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
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide
CID 139827149
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
2-[4-(dimethylamino)phenyl]-N-[2-(3-methoxyanilino)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 67113265
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide (CID 139827123) is 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide is CCCN(CCC)c1ccc(C(=O)Nc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.
What is the InChIKey of 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is UPKBSLKOLBSDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-4-16-31(17-5-2)22-11-6-20(7-12-22)27(32)28-21-10-15-24-25(18-21)30-26(29-24)19-8-13-23(33-3)14-9-19/h6-15,18H,4-5,16-17H2,1-3H3,(H,28,32)(H,29,30).
What are the key properties of 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide?
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 139827123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).