6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine

C16H16ClN3O — CID 82562713

IUPAC6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(C(C)Nc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H16ClN3O/c1-10(11-3-6-13(21-2)7-4-11)18-16-19-14-8-5-12(17)9-15(14)20-16/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyRFVMOYXEOBNSBC-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.40
Rot. Bonds4

About 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine

6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 82562713) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID82562713
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc(C(C)Nc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H16ClN3O/c1-10(11-3-6-13(21-2)7-4-11)18-16-19-14-8-5-12(17)9-15(14)20-16/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyRFVMOYXEOBNSBC-UHFFFAOYSA-N
XLogP4.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562813
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 60724213
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 103295041
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine (CID 82562713) is 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine is COc1ccc(C(C)Nc2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is RFVMOYXEOBNSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10(11-3-6-13(21-2)7-4-11)18-16-19-14-8-5-12(17)9-15(14)20-16/h3-10H,1-2H3,(H2,18,19,20).
What are the key properties of 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine?
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 301.78 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-methoxyphenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 82562713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).