4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine

C12H16ClN3 — CID 82683218

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H16ClN3/c1-8(7-14)2-5-12-15-10-4-3-9(13)6-11(10)16-12/h3-4,6,8H,2,5,7,14H2,1H3,(H,15,16)
InChIKeyCTLRMNXPOIEKCM-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.74
Rot. Bonds4

About 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine

4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine (PubChem CID 82683218) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
PubChem CID82683218
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H16ClN3/c1-8(7-14)2-5-12-15-10-4-3-9(13)6-11(10)16-12/h3-4,6,8H,2,5,7,14H2,1H3,(H,15,16)
InChIKeyCTLRMNXPOIEKCM-UHFFFAOYSA-N
XLogP2.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337147
3-(6-chloro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153939
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine (CID 82683218) is 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine is CC(CN)CCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
The InChIKey is CTLRMNXPOIEKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(7-14)2-5-12-15-10-4-3-9(13)6-11(10)16-12/h3-4,6,8H,2,5,7,14H2,1H3,(H,15,16).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine?
4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine has a molecular weight of 237.73 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 82683218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).