[5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone

C26H25ClN4O2S — CID 127048732

IUPAC[5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21
InChIInChI=1S/C26H25ClN4O2S/c1-29-22-5-3-2-4-21(22)28-25(29)19-15-18(6-7-20(19)27)31-9-8-23-17(16-31)14-24(34-23)26(32)30-10-12-33-13-11-30/h2-7,14-15H,8-13,16H2,1H3
InChIKeyRNWIOHREDZTTIV-UHFFFAOYSA-N
MW493.03 g/mol
LogP4.99
Rot. Bonds3

About [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone

[5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 127048732) has the molecular formula C26H25ClN4O2S and a molecular weight of 493.03 g/mol. Its IUPAC name is [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID127048732
Molecular FormulaC26H25ClN4O2S
Molecular Weight493.03 g/mol
Exact Mass492.14
IUPAC Name[5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21
InChIInChI=1S/C26H25ClN4O2S/c1-29-22-5-3-2-4-21(22)28-25(29)19-15-18(6-7-20(19)27)31-9-8-23-17(16-31)14-24(34-23)26(32)30-10-12-33-13-11-30/h2-7,14-15H,8-13,16H2,1H3
InChIKeyRNWIOHREDZTTIV-UHFFFAOYSA-N
XLogP4.99
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone (CID 127048732) is [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone is Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21.
What is the InChIKey of [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is RNWIOHREDZTTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2S/c1-29-22-5-3-2-4-21(22)28-25(29)19-15-18(6-7-20(19)27)31-9-8-23-17(16-31)14-24(34-23)26(32)30-10-12-33-13-11-30/h2-7,14-15H,8-13,16H2,1H3.
What are the key properties of [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone?
[5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 493.03 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-chloro-3-(1-methylbenzimidazol-2-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 127048732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).