3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide

C12H15ClN4O — CID 120501807

IUPAC3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H15ClN4O/c1-6(7(2)14)11(18)17-12-15-9-5-3-4-8(13)10(9)16-12/h3-7H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyDTCRZBJXWRQMFC-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide

3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide (PubChem CID 120501807) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
PubChem CID120501807
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C12H15ClN4O/c1-6(7(2)14)11(18)17-12-15-9-5-3-4-8(13)10(9)16-12/h3-7H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyDTCRZBJXWRQMFC-UHFFFAOYSA-N
XLogP2.14
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide (CID 120501807) is 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide is CC(N)C(C)C(=O)Nc1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide?
The InChIKey is DTCRZBJXWRQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-6(7(2)14)11(18)17-12-15-9-5-3-4-8(13)10(9)16-12/h3-7H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide?
3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide has a molecular weight of 266.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 120501807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).