3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C19H20Cl2F2N4O — CID 119896415

IUPAC3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H18F2N4O.2ClH/c20-14-8-16-17(9-15(14)21)25-18(24-16)10-2-5-13(6-3-10)23-19(26)11-1-4-12(22)7-11;;/h2-3,5-6,8-9,11-12H,1,4,7,22H2,(H,23,26)(H,24,25);2*1H
InChIKeyLYRBYYIRKYMWHP-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.42
Rot. Bonds3

About 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119896415) has the molecular formula C19H20Cl2F2N4O and a molecular weight of 429.30 g/mol. Its IUPAC name is 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119896415
Molecular FormulaC19H20Cl2F2N4O
Molecular Weight429.30 g/mol
Exact Mass428.10
IUPAC Name3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H18F2N4O.2ClH/c20-14-8-16-17(9-15(14)21)25-18(24-16)10-2-5-13(6-3-10)23-19(26)11-1-4-12(22)7-11;;/h2-3,5-6,8-9,11-12H,1,4,7,22H2,(H,23,26)(H,24,25);2*1H
InChIKeyLYRBYYIRKYMWHP-UHFFFAOYSA-N
XLogP4.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride 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

3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 142812767
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896427
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119764593

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119896415) is 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is LYRBYYIRKYMWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O.2ClH/c20-14-8-16-17(9-15(14)21)25-18(24-16)10-2-5-13(6-3-10)23-19(26)11-1-4-12(22)7-11;;/h2-3,5-6,8-9,11-12H,1,4,7,22H2,(H,23,26)(H,24,25);2*1H.
What are the key properties of 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 429.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119896415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).