[4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol

C14H13N3O — CID 175240601

IUPAC[4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2c(C3=CC=CC=CN3)cccc2[nH]1
InChIInChI=1S/C14H13N3O/c18-9-13-16-12-7-4-5-10(14(12)17-13)11-6-2-1-3-8-15-11/h1-8,15,18H,9H2,(H,16,17)
InChIKeyMPTLXCQWYZXCOZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.07
Rot. Bonds2

About [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol

[4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol (PubChem CID 175240601) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol
PubChem CID175240601
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name[4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2c(C3=CC=CC=CN3)cccc2[nH]1
InChIInChI=1S/C14H13N3O/c18-9-13-16-12-7-4-5-10(14(12)17-13)11-6-2-1-3-8-15-11/h1-8,15,18H,9H2,(H,16,17)
InChIKeyMPTLXCQWYZXCOZ-UHFFFAOYSA-N
XLogP2.07
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol (CID 175240601) is [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol is OCc1nc2c(C3=CC=CC=CN3)cccc2[nH]1.
What is the InChIKey of [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol?
The InChIKey is MPTLXCQWYZXCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-9-13-16-12-7-4-5-10(14(12)17-13)11-6-2-1-3-8-15-11/h1-8,15,18H,9H2,(H,16,17).
What are the key properties of [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol?
[4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-azepin-2-yl)-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 175240601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).