N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide

C24H24ClN3O3 — CID 134083531

IUPACN-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCOc1ccc2nc(C(NC(=O)c3ccco3)C(C)C)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C24H24ClN3O3/c1-15(2)22(27-24(29)21-8-5-11-31-21)23-26-19-10-9-18(30-3)13-20(19)28(23)14-16-6-4-7-17(25)12-16/h4-13,15,22H,14H2,1-3H3,(H,27,29)
InChIKeyXBOCCKDMNKBNOB-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.47
Rot. Bonds7

About N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide

N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide (PubChem CID 134083531) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
PubChem CID134083531
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
SMILESCOc1ccc2nc(C(NC(=O)c3ccco3)C(C)C)n(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C24H24ClN3O3/c1-15(2)22(27-24(29)21-8-5-11-31-21)23-26-19-10-9-18(30-3)13-20(19)28(23)14-16-6-4-7-17(25)12-16/h4-13,15,22H,14H2,1-3H3,(H,27,29)
InChIKeyXBOCCKDMNKBNOB-UHFFFAOYSA-N
XLogP5.47
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 134083504
N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 134083497
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619714
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973496
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 134083522
9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate
CID 71030032
N-[1-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619700
N-[1-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030191
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 134084189

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide (CID 134083531) is N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide is COc1ccc2nc(C(NC(=O)c3ccco3)C(C)C)n(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
The InChIKey is XBOCCKDMNKBNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-15(2)22(27-24(29)21-8-5-11-31-21)23-26-19-10-9-18(30-3)13-20(19)28(23)14-16-6-4-7-17(25)12-16/h4-13,15,22H,14H2,1-3H3,(H,27,29).
What are the key properties of N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide?
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 134083531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).