2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid

C19H21N3O2 — CID 21273442

IUPAC2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid
SMILESCC(c1ccc(CCNC(=O)O)cc1)c1nc2ccccc2n1C
InChIInChI=1S/C19H21N3O2/c1-13(18-21-16-5-3-4-6-17(16)22(18)2)15-9-7-14(8-10-15)11-12-20-19(23)24/h3-10,13,20H,11-12H2,1-2H3,(H,23,24)
InChIKeyNBNGFOTYTQOKPA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.54
Rot. Bonds5

About 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid

2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid (PubChem CID 21273442) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid
PubChem CID21273442
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid
SMILESCC(c1ccc(CCNC(=O)O)cc1)c1nc2ccccc2n1C
InChIInChI=1S/C19H21N3O2/c1-13(18-21-16-5-3-4-6-17(16)22(18)2)15-9-7-14(8-10-15)11-12-20-19(23)24/h3-10,13,20H,11-12H2,1-2H3,(H,23,24)
InChIKeyNBNGFOTYTQOKPA-UHFFFAOYSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51234522
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 42479573
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975742
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid
CID 65063064

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid (CID 21273442) is 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid is CC(c1ccc(CCNC(=O)O)cc1)c1nc2ccccc2n1C.
What is the InChIKey of 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid?
The InChIKey is NBNGFOTYTQOKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(18-21-16-5-3-4-6-17(16)22(18)2)15-9-7-14(8-10-15)11-12-20-19(23)24/h3-10,13,20H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid?
2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid has a molecular weight of 323.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-methylbenzimidazol-2-yl)ethyl]phenyl]ethylcarbamic acid is sourced from PubChem (CID 21273442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).