N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

C19H17ClN4O2 — CID 100787639

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C19H17ClN4O2/c1-11(2)24(10-17-21-13-5-3-4-6-14(13)22-17)18(25)12-7-8-16-15(9-12)23-19(20)26-16/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyIEZQROIRZSEVSW-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.41
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 100787639) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID100787639
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C19H17ClN4O2/c1-11(2)24(10-17-21-13-5-3-4-6-14(13)22-17)18(25)12-7-8-16-15(9-12)23-19(20)26-16/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyIEZQROIRZSEVSW-UHFFFAOYSA-N
XLogP4.41
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 137314516
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72922696
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684
2-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 100788170
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 133167282
N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
CID 122158480
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
4-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137294556
1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone
CID 166871952

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 100787639) is N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2oc(Cl)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is IEZQROIRZSEVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11(2)24(10-17-21-13-5-3-4-6-14(13)22-17)18(25)12-7-8-16-15(9-12)23-19(20)26-16/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 100787639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).