N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide

C28H27N5O4 — CID 123940523

IUPACN-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4[nH]3)c(O)c2CCNC(=O)c2ccccc2)c1
InChIInChI=1S/C28H27N5O4/c1-36-19-14-18(15-20(16-19)37-2)33-23(12-13-30-28(35)17-8-4-3-5-9-17)25(34)24(26(33)29)27-31-21-10-6-7-11-22(21)32-27/h3-11,14-16,34H,12-13,29H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyLHUBKORKTCYMRH-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.30
Rot. Bonds8

About N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide

N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide (PubChem CID 123940523) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide
PubChem CID123940523
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC NameN-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4[nH]3)c(O)c2CCNC(=O)c2ccccc2)c1
InChIInChI=1S/C28H27N5O4/c1-36-19-14-18(15-20(16-19)37-2)33-23(12-13-30-28(35)17-8-4-3-5-9-17)25(34)24(26(33)29)27-31-21-10-6-7-11-22(21)32-27/h3-11,14-16,34H,12-13,29H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyLHUBKORKTCYMRH-UHFFFAOYSA-N
XLogP4.30
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(methoxymethyl)pyrrol-3-ol
CID 123393361
methyl 5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrole-2-carboxylate
CID 123409809
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-(methylamino)pyrrol-3-ol
CID 123675902
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol
CID 123423759
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol
CID 123397524
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
3-amino-2-[3-[[2-[3-amino-2-(3,5-dimethylphenyl)-5-oxo-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]methoxy]-5-methoxyphenyl]-4-(1H-benzimidazol-2-yl)-1H-pyrazol-5-one
CID 123747011
3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325623

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide (CID 123940523) is N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide is COc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4[nH]3)c(O)c2CCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide?
The InChIKey is LHUBKORKTCYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-36-19-14-18(15-20(16-19)37-2)33-23(12-13-30-28(35)17-8-4-3-5-9-17)25(34)24(26(33)29)27-31-21-10-6-7-11-22(21)32-27/h3-11,14-16,34H,12-13,29H2,1-2H3,(H,30,35)(H,31,32).
What are the key properties of N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide?
N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide has a molecular weight of 497.56 g/mol, XLogP of 4.30, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide is sourced from PubChem (CID 123940523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).