N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine

C14H20ClN3 — CID 82337147

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H20ClN3/c1-10(2)5-7-16-8-6-14-17-12-4-3-11(15)9-13(12)18-14/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyGMTICSYXFOSMKR-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine (PubChem CID 82337147) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
PubChem CID82337147
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H20ClN3/c1-10(2)5-7-16-8-6-14-17-12-4-3-11(15)9-13(12)18-14/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyGMTICSYXFOSMKR-UHFFFAOYSA-N
XLogP3.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683218
N-[2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337151
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331830
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
(2S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 125165861
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274260
N-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(6-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 131891415

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine (CID 82337147) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine is CC(C)CCNCCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
The InChIKey is GMTICSYXFOSMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-10(2)5-7-16-8-6-14-17-12-4-3-11(15)9-13(12)18-14/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine has a molecular weight of 265.79 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 82337147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).