N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine

C14H18ClN3 — CID 112741106

IUPACN-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine
SMILESCc1c(Cl)ccc2[nH]c(CNC3CCCC3)nc12
InChIInChI=1S/C14H18ClN3/c1-9-11(15)6-7-12-14(9)18-13(17-12)8-16-10-4-2-3-5-10/h6-7,10,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyINSCGFCQBUSVBD-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.56
Rot. Bonds3

About N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine

N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine (PubChem CID 112741106) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine
PubChem CID112741106
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine
SMILESCc1c(Cl)ccc2[nH]c(CNC3CCCC3)nc12
InChIInChI=1S/C14H18ClN3/c1-9-11(15)6-7-12-14(9)18-13(17-12)8-16-10-4-2-3-5-10/h6-7,10,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyINSCGFCQBUSVBD-UHFFFAOYSA-N
XLogP3.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
CID 84633655
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopropanamine
CID 60837999
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
N-[(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopropanamine
CID 79795782
3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629227
5-chloro-2-ethoxy-4-methyl-1H-benzimidazole
CID 131057675
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60849821
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
5-chloro-2-methoxy-4-methyl-1H-benzimidazole
CID 131002916
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine (CID 112741106) is N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine is Cc1c(Cl)ccc2[nH]c(CNC3CCCC3)nc12.
What is the InChIKey of N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine?
The InChIKey is INSCGFCQBUSVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-11(15)6-7-12-14(9)18-13(17-12)8-16-10-4-2-3-5-10/h6-7,10,16H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine?
N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine has a molecular weight of 263.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methyl-1H-benzimidazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 112741106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).