3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide

C17H24N4O2 — CID 95706979

IUPAC3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC[C@@]1(O)CCCNCC1
InChIInChI=1S/C17H24N4O2/c22-16(19-12-17(23)8-3-10-18-11-9-17)7-6-15-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,18,23H,3,6-12H2,(H,19,22)(H,20,21)/t17-/m1/s1
InChIKeyBCLWNZMPQMKYRW-QGZVFWFLSA-N
MW316.40 g/mol
LogP1.12
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide (PubChem CID 95706979) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide
PubChem CID95706979
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC[C@@]1(O)CCCNCC1
InChIInChI=1S/C17H24N4O2/c22-16(19-12-17(23)8-3-10-18-11-9-17)7-6-15-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,18,23H,3,6-12H2,(H,19,22)(H,20,21)/t17-/m1/s1
InChIKeyBCLWNZMPQMKYRW-QGZVFWFLSA-N
XLogP1.12
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide (CID 95706979) is 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide is O=C(CCc1nc2ccccc2[nH]1)NC[C@@]1(O)CCCNCC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide?
The InChIKey is BCLWNZMPQMKYRW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(19-12-17(23)8-3-10-18-11-9-17)7-6-15-20-13-4-1-2-5-14(13)21-15/h1-2,4-5,18,23H,3,6-12H2,(H,19,22)(H,20,21)/t17-/m1/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide is sourced from PubChem (CID 95706979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).