N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide

C25H29ClIN3O — CID 18733730

IUPACN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(I)c1
InChIInChI=1S/C25H29ClIN3O/c1-17(2)12-13-29(25(31)18-6-5-7-20(27)14-18)16-24-28-22-11-10-19(26)15-23(22)30(24)21-8-3-4-9-21/h5-7,10-11,14-15,17,21H,3-4,8-9,12-13,16H2,1-2H3
InChIKeyFDMPDCIOVYVATP-UHFFFAOYSA-N
MW549.88 g/mol
LogP7.10
Rot. Bonds7

About N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide (PubChem CID 18733730) has the molecular formula C25H29ClIN3O and a molecular weight of 549.88 g/mol. Its IUPAC name is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
PubChem CID18733730
Molecular FormulaC25H29ClIN3O
Molecular Weight549.88 g/mol
Exact Mass549.10
IUPAC NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(I)c1
InChIInChI=1S/C25H29ClIN3O/c1-17(2)12-13-29(25(31)18-6-5-7-20(27)14-18)16-24-28-22-11-10-19(26)15-23(22)30(24)21-8-3-4-9-21/h5-7,10-11,14-15,17,21H,3-4,8-9,12-13,16H2,1-2H3
InChIKeyFDMPDCIOVYVATP-UHFFFAOYSA-N
XLogP7.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.88
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761
3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodobenzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(2-methylpropyl)benzamide
CID 159135995
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733197
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide
CID 18733805
3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732857
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
3-iodo-N,N-bis(3-methylbutyl)benzamide
CID 60653047
4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733151
5-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733226
3-bromo-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732827

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide (CID 18733730) is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide is CC(C)CCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1cccc(I)c1.
What is the InChIKey of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide?
The InChIKey is FDMPDCIOVYVATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClIN3O/c1-17(2)12-13-29(25(31)18-6-5-7-20(27)14-18)16-24-28-22-11-10-19(26)15-23(22)30(24)21-8-3-4-9-21/h5-7,10-11,14-15,17,21H,3-4,8-9,12-13,16H2,1-2H3.
What are the key properties of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide?
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide has a molecular weight of 549.88 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18733730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).