N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide

C18H20FN3OS — CID 137453703

IUPACN-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide
SMILESCCc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(C)F)c1
InChIInChI=1S/C18H20FN3OS/c1-4-12-5-6-15-17(22(3)10-21-15)14(12)8-20-18(23)13-7-16(11(2)19)24-9-13/h5-7,9-11H,4,8H2,1-3H3,(H,20,23)
InChIKeyTYFGHRWESTUOIP-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.16
Rot. Bonds5

About N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide

N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide (PubChem CID 137453703) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide
PubChem CID137453703
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide
SMILESCCc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(C)F)c1
InChIInChI=1S/C18H20FN3OS/c1-4-12-5-6-15-17(22(3)10-21-15)14(12)8-20-18(23)13-7-16(11(2)19)24-9-13/h5-7,9-11H,4,8H2,1-3H3,(H,20,23)
InChIKeyTYFGHRWESTUOIP-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
CID 137453588
[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol
CID 162616203
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
4,5-dichloro-N-[(5-hydroxy-3-methylbenzimidazol-4-yl)methyl]thiophene-2-carboxamide
CID 137453489
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
N-[(4-bromothiophen-2-yl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 71844437
5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 78950124

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide (CID 137453703) is N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide is CCc1ccc2ncn(C)c2c1CNC(=O)c1csc(C(C)F)c1.
What is the InChIKey of N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide?
The InChIKey is TYFGHRWESTUOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-4-12-5-6-15-17(22(3)10-21-15)14(12)8-20-18(23)13-7-16(11(2)19)24-9-13/h5-7,9-11H,4,8H2,1-3H3,(H,20,23).
What are the key properties of N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide?
N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 137453703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).