3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide

C19H22N4O — CID 119112037

IUPAC3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide
SMILESCCn1c(C(C)NCc2cccc(C(N)=O)c2)nc2ccccc21
InChIInChI=1S/C19H22N4O/c1-3-23-17-10-5-4-9-16(17)22-19(23)13(2)21-12-14-7-6-8-15(11-14)18(20)24/h4-11,13,21H,3,12H2,1-2H3,(H2,20,24)
InChIKeyAJPHKLCOHGHORU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.01
Rot. Bonds6

About 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide

3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide (PubChem CID 119112037) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide
PubChem CID119112037
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide
SMILESCCn1c(C(C)NCc2cccc(C(N)=O)c2)nc2ccccc21
InChIInChI=1S/C19H22N4O/c1-3-23-17-10-5-4-9-16(17)22-19(23)13(2)21-12-14-7-6-8-15(11-14)18(20)24/h4-11,13,21H,3,12H2,1-2H3,(H2,20,24)
InChIKeyAJPHKLCOHGHORU-UHFFFAOYSA-N
XLogP3.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methoxymethyl)benzamide
CID 95233946
methyl 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-2,6-dimethylphenoxy]acetate
CID 119112027
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
1-(1-ethylbenzimidazol-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]ethanamine
CID 119112036
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide (CID 119112037) is 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide is CCn1c(C(C)NCc2cccc(C(N)=O)c2)nc2ccccc21.
What is the InChIKey of 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide?
The InChIKey is AJPHKLCOHGHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-23-17-10-5-4-9-16(17)22-19(23)13(2)21-12-14-7-6-8-15(11-14)18(20)24/h4-11,13,21H,3,12H2,1-2H3,(H2,20,24).
What are the key properties of 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide?
3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 119112037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).