(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone

C18H18N2O2 — CID 711826

IUPAC(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
SMILESCCCn1c(C(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-12-20-15-10-6-5-9-14(15)19-18(20)17(21)13-8-4-7-11-16(13)22-2/h4-11H,3,12H2,1-2H3
InChIKeyGZILTSRYGZBDPB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.69
Rot. Bonds5

About (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone

(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone (PubChem CID 711826) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
PubChem CID711826
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone
SMILESCCCn1c(C(=O)c2ccccc2OC)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-12-20-15-10-6-5-9-14(15)19-18(20)17(21)13-8-4-7-11-16(13)22-2/h4-11H,3,12H2,1-2H3
InChIKeyGZILTSRYGZBDPB-UHFFFAOYSA-N
XLogP3.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 3786297
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
S-[5-(1-propylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-propylbenzimidazole-2-carbothioate
CID 54028258
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
8-methoxy-2-oxo-N-(1-propylbenzimidazol-2-yl)chromene-3-carboxamide
CID 17403937
(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanone
CID 842421

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone (CID 711826) is (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone is CCCn1c(C(=O)c2ccccc2OC)nc2ccccc21.
What is the InChIKey of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
The InChIKey is GZILTSRYGZBDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-20-15-10-6-5-9-14(15)19-18(20)17(21)13-8-4-7-11-16(13)22-2/h4-11H,3,12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone?
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 711826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).