N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine

C14H20ClN3 — CID 82335876

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H20ClN3/c1-3-5-8-18(4-2)10-14-16-12-7-6-11(15)9-13(12)17-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,17)
InChIKeyYWHAMPVRANFODC-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.84
Rot. Bonds6

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine (PubChem CID 82335876) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
PubChem CID82335876
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H20ClN3/c1-3-5-8-18(4-2)10-14-16-12-7-6-11(15)9-13(12)17-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,17)
InChIKeyYWHAMPVRANFODC-UHFFFAOYSA-N
XLogP3.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 82335889
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82336677
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine (CID 82335876) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
The InChIKey is YWHAMPVRANFODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-3-5-8-18(4-2)10-14-16-12-7-6-11(15)9-13(12)17-14/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine has a molecular weight of 265.79 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 82335876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).