2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide

C12H15ClN4O — CID 43659596

IUPAC2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN4O/c1-2-5-15-11(18)7-17-10-4-3-8(13)6-9(10)16-12(17)14/h3-4,6H,2,5,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyCNFLZMNXZZTJMZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide

2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide (PubChem CID 43659596) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
PubChem CID43659596
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN4O/c1-2-5-15-11(18)7-17-10-4-3-8(13)6-9(10)16-12(17)14/h3-4,6H,2,5,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyCNFLZMNXZZTJMZ-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
CID 62507372
2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-propylacetamide
CID 43661209
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
2-[5-chloro-1-[2-(ethylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43659809
methyl 2-amino-5-chlorobenzimidazole-1-carboxylate
CID 10353629
1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide (CID 43659596) is 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide?
The InChIKey is CNFLZMNXZZTJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-2-5-15-11(18)7-17-10-4-3-8(13)6-9(10)16-12(17)14/h3-4,6H,2,5,7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide?
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide has a molecular weight of 266.73 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 43659596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).