N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide

C15H21N3O3 — CID 156708251

IUPACN-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide
SMILESCCCCNC(=O)n1c(OCC)nc2c(OC)cccc21
InChIInChI=1S/C15H21N3O3/c1-4-6-10-16-14(19)18-11-8-7-9-12(20-3)13(11)17-15(18)21-5-2/h7-9H,4-6,10H2,1-3H3,(H,16,19)
InChIKeyBABXSVNBSHVOJA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.80
Rot. Bonds6

About N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide

N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide (PubChem CID 156708251) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide
PubChem CID156708251
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide
SMILESCCCCNC(=O)n1c(OCC)nc2c(OC)cccc21
InChIInChI=1S/C15H21N3O3/c1-4-6-10-16-14(19)18-11-8-7-9-12(20-3)13(11)17-15(18)21-5-2/h7-9H,4-6,10H2,1-3H3,(H,16,19)
InChIKeyBABXSVNBSHVOJA-UHFFFAOYSA-N
XLogP2.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-4-methoxybenzimidazol-1-yl)hexan-1-one
CID 167618727
[1-(butylcarbamoyl)-4-methylbenzimidazol-2-yl] formate
CID 123590959
N-butyl-4-methoxy-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377454
N-butyl-2-methylsulfanylbenzimidazole-1-carboxamide
CID 5096202
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
N-butyl-2-methylbenzimidazole-1-carboxamide carbamate
CID 19876932
4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide?
The IUPAC name of N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide (CID 156708251) is N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide.
What is the SMILES notation for N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide?
The canonical SMILES for N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide is CCCCNC(=O)n1c(OCC)nc2c(OC)cccc21.
What is the InChIKey of N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide?
The InChIKey is BABXSVNBSHVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-6-10-16-14(19)18-11-8-7-9-12(20-3)13(11)17-15(18)21-5-2/h7-9H,4-6,10H2,1-3H3,(H,16,19).
What are the key properties of N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide?
N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethoxy-4-methoxybenzimidazole-1-carboxamide is sourced from PubChem (CID 156708251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).