2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide

C16H22N4O — CID 103113458

IUPAC2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C16H22N4O/c1-4-19(3)16(21)10(2)20-14-8-7-12(17)9-13(14)18-15(20)11-5-6-11/h7-11H,4-6,17H2,1-3H3
InChIKeyURDZRMASKZHACP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.54
Rot. Bonds4

About 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide

2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide (PubChem CID 103113458) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
PubChem CID103113458
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C16H22N4O/c1-4-19(3)16(21)10(2)20-14-8-7-12(17)9-13(14)18-15(20)11-5-6-11/h7-11H,4-6,17H2,1-3H3
InChIKeyURDZRMASKZHACP-UHFFFAOYSA-N
XLogP2.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113457
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
CID 62493100
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
ethyl 4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanoate
CID 64577977
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethyl carbamate
CID 83215207
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide (CID 103113458) is 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)n1c(C2CC2)nc2cc(N)ccc21.
What is the InChIKey of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
The InChIKey is URDZRMASKZHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-19(3)16(21)10(2)20-14-8-7-12(17)9-13(14)18-15(20)11-5-6-11/h7-11H,4-6,17H2,1-3H3.
What are the key properties of 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103113458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).