7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine

C14H19ClN4 — CID 156742611

IUPAC7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
SMILESCN1CCC[C@H](n2c(N)nc3cccc(Cl)c32)CC1
InChIInChI=1S/C14H19ClN4/c1-18-8-3-4-10(7-9-18)19-13-11(15)5-2-6-12(13)17-14(19)16/h2,5-6,10H,3-4,7-9H2,1H3,(H2,16,17)/t10-/m0/s1
InChIKeyAKXMPGDTHVQBDH-JTQLQIEISA-N
MW278.79 g/mol
LogP2.93
Rot. Bonds1

About 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine

7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine (PubChem CID 156742611) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
PubChem CID156742611
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
SMILESCN1CCC[C@H](n2c(N)nc3cccc(Cl)c32)CC1
InChIInChI=1S/C14H19ClN4/c1-18-8-3-4-10(7-9-18)19-13-11(15)5-2-6-12(13)17-14(19)16/h2,5-6,10H,3-4,7-9H2,1H3,(H2,16,17)/t10-/m0/s1
InChIKeyAKXMPGDTHVQBDH-JTQLQIEISA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine (CID 156742611) is 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine is CN1CCC[C@H](n2c(N)nc3cccc(Cl)c32)CC1.
What is the InChIKey of 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine?
The InChIKey is AKXMPGDTHVQBDH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19ClN4/c1-18-8-3-4-10(7-9-18)19-13-11(15)5-2-6-12(13)17-14(19)16/h2,5-6,10H,3-4,7-9H2,1H3,(H2,16,17)/t10-/m0/s1.
What are the key properties of 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine?
7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine has a molecular weight of 278.79 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine is sourced from PubChem (CID 156742611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).